3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid

C15H22N2O4 — CID 61181189

IUPAC3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCCOc1ccccc1NC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-12(13)16-15(20)17(11(2)3)10-9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUMGPNHWNAXNQTC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds7

About 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid

3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid (PubChem CID 61181189) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
PubChem CID61181189
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCCOc1ccccc1NC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-12(13)16-15(20)17(11(2)3)10-9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUMGPNHWNAXNQTC-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis[(2S)-butan-2-yl]-3-(2-ethoxyphenyl)urea
CID 40635447
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
3-(2-ethoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 3992249
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid (CID 61181189) is 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid is CCOc1ccccc1NC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The InChIKey is UMGPNHWNAXNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-12(13)16-15(20)17(11(2)3)10-9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61181189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).